REMARK  Name = BDB044054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.953   0.581  -0.133  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -1.996  -0.390   0.100  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -0.629  -0.245   0.025  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1       -0.087  -1.479   0.360  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -1.162  -2.458   0.664  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1       -1.074  -3.621   0.991  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1        1.214  -1.792   0.403  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -2.377  -1.676   0.480  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -3.697  -2.055   0.639  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -4.672  -1.087   0.399  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.306   0.220   0.015  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.324  -0.877   0.107  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        2.351   0.444   0.575  0.00  0.00    +0.057 A 
ATOM     14  C   LIG    1        3.450   1.250   0.303  0.00  0.00    +0.159 A 
ATOM     15  C   LIG    1        4.513   0.767  -0.453  0.00  0.00    +0.158 A 
ATOM     16  C   LIG    1        4.522  -0.546  -0.896  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.429  -1.369  -0.609  0.00  0.00    +0.012 A 
BRANCH  14  18
ATOM     18  O   LIG    1        3.490   2.512   0.823  0.00  0.00    -0.503 OA
ATOM     19  H   LIG    1        4.428   2.698   1.007  0.00  0.00    +0.292 HD
ENDBRANCH  14  18
BRANCH  15  20
ATOM     20  O   LIG    1        5.549   1.589  -0.792  0.00  0.00    -0.503 OA
ATOM     21  H   LIG    1        5.138   2.438  -1.040  0.00  0.00    +0.292 HD
ENDBRANCH  15  20
ENDBRANCH   7  12
BRANCH   1  25
ATOM     22  N   LIG    1       -3.359   2.973  -0.134  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -3.010   3.904  -0.326  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -4.014   2.871   0.628  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1       -2.561   1.944  -0.555  0.00  0.00    +0.245 C 
ATOM     26  O   LIG    1       -1.570   2.156  -1.238  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 4